Hi, Making your run stay to the cores it is assigned is always a good idea, and using -pin on is a good way to do it. If there's more than that job on the node, then it is more complicated than that. More information here http://manual.gromacs.org/documentation/2016.3/user-guide/mdrun-performance.html .
Mark On Sat, Jul 8, 2017 at 10:25 PM leila karami <karami.lei...@gmail.com> wrote: > *Dear Szilárd ,* > *Thanx for your answer. * > > > *For the following command, should I use -pin on?* > > gmx_mpi mdrun -nb gpu -v -deffnm gpu_md -ntomp 32 -gpu_id 0 > > Best wishes > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
